methyl (4E)-4-[(2-fluorophenyl)methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-4-[(2-fluorophenyl)methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl (4E)-4-[(2-fluorophenyl)methylene]-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (4E)-4-[(2-fluorophenyl)methylidene]-2-methyl-5-oxo-1-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[(2-fluorophenyl)methylidene]-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (4E)-4-(2-fluorobenzylidene)-5-keto-2-methyl-1-phenethyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H20FNO3 MolecularWeight: 365.397503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C2F)C(=O)N1CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C\C2=CC=CC=C2F)/C(=O)N1CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20FNO3/c1-15-20(22(26)27-2)18(14-17-10-6-7-11-19(17)23)21(25)24(15)13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3/b18-14+